⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cyanide SCHEMBL29046942 | 0.91 | CA1 (0.50) | — | |
| Cyanide SCHEMBL11787961 | 0.89 | — | — | |
| Cyanide SCHEMBL433605 | 0.89 | — | — | |
| Cyanide SCHEMBL28345450 | 0.89 | — | — | |
| Cyanide SCHEMBL28348190 | 0.89 | CA1 (0.75) | — | |
| Cyanide SCHEMBL661416 | 0.80 | — | — | |
| Cyanide SCHEMBL1252302 | 0.80 | — | — | |
| Cyanide SCHEMBL9301318 | 0.80 | — | — | |
| Cyanide SCHEMBL10729235 | 0.80 | — | — | |
| Cyanide SCHEMBL19026347 | 0.80 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6472079-B2 | PRODUCT OF HYDROLYSIS AND CONDENSATION OF AN ORGANOSILICON COMPOUND; 1A OR 2A COMPOUND, ESPECIALLY CARBOXYLIC SALT; SOLVENT; EXCELLENT CRACKING RESISTANCE AFTER A PCT (PRESSURE COOKER TEST). | JSR CORPORATION (JP) | 2002-10-29 | — | — | US | disclosed |
| US-20020045693-A1 | Composition for film formation, method of film formation and silica-based film | JSR CORPORATION (JP) | 2002-04-18 | — | — | US | disclosed |
| EP-1148105-A2 | Composition for film formation, method of film formation, and silica-based film | JSR Corporation (JP) | 2001-10-24 | — | — | EP | disclosed |